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Information card for entry 4515268
Preview
| Coordinates | 4515268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis_alpha_DIPYR |
|---|---|
| Formula | C41 H31 B2 F4 N4 |
| Calculated formula | C41 H31 B2 F4 N4 |
| Title of publication | Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers |
| Authors of publication | Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E. |
| Journal of publication | ACS Applied Energy Materials |
| Year of publication | 2018 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | 1083 |
| a | 27.274 ± 0.005 Å |
| b | 11.91 ± 0.002 Å |
| c | 23.368 ± 0.004 Å |
| α | 90° |
| β | 115.244 ± 0.011° |
| γ | 90° |
| Cell volume | 6866 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.163 |
| Residual factor for significantly intense reflections | 0.1248 |
| Weighted residual factors for significantly intense reflections | 0.3071 |
| Weighted residual factors for all reflections included in the refinement | 0.3431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.211 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225435 (current) | 2019-11-09 | cif/ Adding structures of 4515268 via cif-deposit CGI script. |
4515268.cif |
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